N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C19H18FN3O — CID 8933922

IUPACN-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1F
InChIInChI=1S/C19H18FN3O/c1-13-18(14(2)23(22-13)16-9-4-3-5-10-16)19(24)21-12-15-8-6-7-11-17(15)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyGRJRWHDKYALSQQ-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.56
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 8933922) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID8933922
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1F
InChIInChI=1S/C19H18FN3O/c1-13-18(14(2)23(22-13)16-9-4-3-5-10-16)19(24)21-12-15-8-6-7-11-17(15)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyGRJRWHDKYALSQQ-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Penflufen
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1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
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5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
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1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645923
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645924
1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
N-(3,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850328

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 8933922) is N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is GRJRWHDKYALSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-18(14(2)23(22-13)16-9-4-3-5-10-16)19(24)21-12-15-8-6-7-11-17(15)20/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 8933922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).